3-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzoic acid CAS Name: 3-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzoic acid Traditional Name: 3-[[4-[(methylthio)methyl]benzoyl]amino]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H15NO3S/c1-21-10-11-5-7-12(8-6-11)15(18)17-14-4-2-3-13(9-14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)